pyproject.toml

# See https://setuptools.readthedocs.io/en/latest/build_meta.html
[build-system]
requires = ["setuptools", "wheel"]
build-backend = "setuptools.build_meta"

[tool.ruff]
line-length = 160
target-version = "py311"
lint.select = ["E", "F", "I"]

[tool.ruff.lint.per-file-ignores]
"__init__.py" = ["F401"]

[tool.ruff.lint.isort]
known-first-party = ["GPMs_book"]

[tool.pytest.ini_options]
markers = ["requires_api_key"]


[tool.codeflash]
# All paths are relative to this pyproject.toml's directory.
module-root = "GPMs_book"
tests-root = "tests"
test-framework = "pytest"
ignore-paths = []
formatter-cmds = ["ruff check --exit-zero --fix $file", "ruff format $file"]

[project]
name = "GPMs-book"
version = "0.0.1"
description = "Online version of the article "General purpose models for the chemical sciences""
authors = [{ name = "GPMs-book authors", email = "lamalab@lamalab.org" }]
dependencies = [
]
requires-python = ">=3.10"
readme = "README.md"
license = { text = "MIT license" }

[project.optional-dependencies]
optional_dependencies = []
all = ["GPMs-book[dev,docs]"]
dev = ["pytest", 'ruff', 'pytest-dotenv']
docs = ["mkdocs", "mkdocs-material", "mkdocstrings[python]"]

[project.scripts]


[tool.bumpversion]
current_version = "0.0.1-dev"
parse = "(?P<major>\\d+)\\.(?P<minor>\\d+)\\.(?P<patch>\\d+)(-(?P<release>[a-z]+))?"
serialize = ["{major}.{minor}.{patch}-{release}", "{major}.{minor}.{patch}"]
commit = true
tag = true

[tool.bumpversion.parts.release]
optional_value = "prod"
values = ["dev", "prod"]

[[tool.bumpversion.files]]
filename = "pyproject.toml"
search = 'version = "{current_version}"'
replace = 'version = "{new_version}"'

[[tool.bumpversion.files]]
filename = "GPMs-book/__init__.py"
search = '__version__ = "{current_version}"'
replace = '__version__ = "{new_version}"'